First one needs a detailed information which files are really generated
in order to see where it stucks.
ls -alsrt list the files with full information (empty or non-empty
files, date+time of last write).
Then you should do a ps -ef and see what is running in connection with
optic (maybe a
If you haven't already done so, I would suggest looking at the content
in the files .timeop_1, .timeop_2, ... , and .timeop_X (e.g., while in
the case directory: cat .timeop_*), because an error message might be
logged in these files for a parallel optic calculation.
On 4/21/2016 3:44 PM, Maci
Hi, I want to calculate the band parity, so I executed x irrep -so, but I don't
quite understand the output file irrepso. Have no luck searching the mailing
list nor userguide. Here are some band indices at Gamma, what do the rest of
the columns mean?
47 2 0.3027126 10
Dear Professor Laurence Marks,
Thanks for your kind reply.
Mingcui
-- --
??: "Laurence Marks";;
: 2016??4??22??(??) 6:57
??: "A Mailing list for WIEN2k users";
: Re: [Wien] lsda
In general, to do this calculation you need
In general, to do this calculation you need to find another code.
If you are an expert in using Wien2k there is a method that might work,
although I doubt that it will converge. You would need to do something like
write a fortran (or C, or C++) routine that will average the density within
the RMT
Dear WIEN2K users,
I want to force everything but only one atom d states to be
non-spinpolarized. For example, there are two Fe atoms in a unit cell, and I
want to keep only one Fe atom to be spinpolarized, while the other to be
non-spinpolarized. Would anyone tell me how to carry out this cal
Dear WIEN2k Community,
I want to calculate the joint density of states but I ran into some
problems with parallel execution of x optic. I use only K-point
parallelization and run the newest 14.2 version of WIEN2k.
When I do sequential calculations, it all works fine. But for bigger
cases, an
Dear WIEN2K users,
I am wondering if we can calculate plasma frequency by changing Fermi energy.
For instance, the effect of Fermi level on plasma frequency.
Thanks,
Jifeng
--
Jifeng Sun, Ph.D.
Postdoctoral Research Fellow
Department of Physics and Astronomy
University of Missouri-Columbia
Col
Peters response is to correct the integration.
For the other see
http://office.manualsonline.com/manuals/mfg/qlogic/ib605460100_d.html?p=101
and talk to your sysadmin. It is not a Wien2k issue.
---
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
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